methyl 2-[4-(2-azanylethylsulfanyl)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(2-azanylethylsulfanyl)phenyl]ethanoate Openeye Name: methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate CAS Name: 2-[4-(2-aminoethylthio)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-aminoethylsulfanyl)phenyl]acetate Traditional Name: 2-[4-(2-aminoethylthio)phenyl]acetic acid methyl ester Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)SCCN

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)SCCN

InChI

InChI=1S/C11H15NO2S/c1-14-11(13)8-9-2-4-10(5-3-9)15-7-6-12/h2-5H,6-8,12H2,1H3